| CAS Number | 20605-19-0 |
| Catalog Number | AG002AIH(AGN-PC-0NJUTV) |
| Chemical Name | 3-Amino-1-butylurea |
| IUPAC Name | 1-amino-3-butylurea |
| InChI | InChI=1S/C5H13N3O/c1-2-3-4-7-5(9)8-6/h2-4,6H2,1H3,(H2,7,8,9) |
| InChI Key | OQGXXDLQVFZTAD-UHFFFAOYSA-N |
| MDL Number | MFCD00047818 |
| Molecular Formula | C5H13N3O |
| Molecular Weight | 131.1762 |
| SMILES | CCCCNC(NN)=O |
| Synonyms | 3-amino-1-butylurea,
4-n-butyl-semicarbazide,
20605-19-0,
1-amino-3-butylurea,
Hydrazinecarboxamide, N-butyl-,
N-Butylhydrazinecarboxamide,
4-BUTYLSEMICARBAZIDE,
AC1Q2X3S,
SCHEMBL6935602,
CTK0J0232,
DTXSID30506520,
OQGXXDLQVFZTAD-UHFFFAOYSA-N,
ZINC36948045,
AKOS009344697,
NE42709,
EN300-55865,
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| Complexity | 84.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 131.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 131.179g/mol |
| Monoisotopic Mass | 131.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number